MDPI-ZINC04293482 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 29 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5250 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 -0.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8440 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 -2.5710 -0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -2.3760 0.0010 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -1.5380 0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1170 -2.0700 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0910 -1.3420 0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2760 -3.4080 0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 -3.9620 0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6450 -3.3220 -0.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9080 -3.8700 -0.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0890 -5.0560 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0060 -5.6960 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7390 -5.1540 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2370 -7.1840 1.8170 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -10.6780 -5.7410 0.5170 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9020 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 1.8880 -0.8930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 1.8750 0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5060 -0.3540 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -0.3680 0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -3.3390 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7650 -0.5740 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 -3.9880 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5050 -2.3960 -0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7550 -3.3720 -0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8930 -5.6560 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 29 1 0 0 0 0 M END